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87870-34-6 | 8-Isoquinolinol, 1-ethenyl-4-methyl-
CAS No: 87870-34-6 Catalog No: AG008CGA MDL No:
Product Description
Catalog Number:
AG008CGA
Chemical Name:
8-Isoquinolinol, 1-ethenyl-4-methyl-
CAS Number:
87870-34-6
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
1-ethenyl-4-methylisoquinolin-8-ol
InChI:
InChI=1S/C12H11NO/c1-3-10-12-9(8(2)7-13-10)5-4-6-11(12)14/h3-7,14H,1H2,2H3
InChI Key:
CYNMRDUCRUHDJV-UHFFFAOYSA-N
SMILES:
C=Cc1ncc(c2c1c(O)ccc2)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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